Data quality metrics extracted from 4cm5.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "f044c9d41c1b201844210f5829d642ba",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.022,
    "b": 88.248,
    "c": 84.356,
    "alpha": 90.0,
    "beta": 115.4,
    "gamma": 90.0
  },
  "wavelengths": [1.04400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.42,1.99],
    "number_observations_unique": 66126,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 10.30
      },
      {
        "type": "Completeness",
        "value": 97.7
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.09,1.99],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.69
        },
        {
          "type": "I/SigI",
          "value": 2.60
        },
        {
          "type": "Completeness",
          "value": 91.5
        },
        {
          "type": "Redundancy",
          "value": 5.8
        }
      ]
    }
  ]

}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):